8J4H

X-ray structure of a ferric ion-binding protein A (FbpA) from Vibrio metschnikovii in complex with Danshensu (DSS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 63 2 2
Unit cell lengths	90.233, 90.233, 149.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.120 - 2.010
R-factor	0.16142
Rwork	0.159
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.825	2.018
High resolution limit [Å]	2.008	2.008
Number of reflections	45218	7187
<I/σ(I)>	15.81
Completeness [%]	99.3
Redundancy	10.59
CC(1/2)	0.999	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	1 M (NH4)2HPO4, 0.1 M imidazole-HCl (pH 8.0)